CID 35737

2305255-78-9

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(CC1)NCCCO
InChI
InChI=1S/C9H19NO/c11-8-4-7-10-9-5-2-1-3-6-9/h9-11H,1-8H2
InChIKey
DFOAUWHTDKZVPW-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

157.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.0
[M+Na]+ 180.13589 139.9
[M-H]- 156.13939 137.9
[M+NH4]+ 175.18049 156.6
[M+K]+ 196.10983 138.2
[M+H-H2O]+ 140.14393 131.1
[M+HCOO]- 202.14487 156.9
[M+CH3COO]- 216.16052 176.6
[M+Na-2H]- 178.12134 141.9
[M]+ 157.14612 131.3
[M]- 157.14722 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe